1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,6-naphthyridine;4-tert-butylpyridine;platinum(2+)

C31H35N7Pt — CID 156661553

About 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,6-naphthyridine;4-tert-butylpyridine;platinum(2+)

1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,6-naphthyridine;4-tert-butylpyridine;platinum(2+) (PubChem CID 156661553) has the molecular formula C31H35N7Pt and a molecular weight of 700.75 g/mol. Its IUPAC name is 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,6-naphthyridine;4-tert-butylpyridine;platinum(2+).

Molecular Properties

• Compound Name: 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,6-naphthyridine;4-tert-butylpyridine;platinum(2+)
• PubChem CID: 156661553
• Molecular Formula: C31H35N7Pt
• Molecular Weight: 700.75 g/mol
• Exact Mass: 700.26
• IUPAC Name: 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,6-naphthyridine;4-tert-butylpyridine;platinum(2+)
• SMILES: CC(C)(C)c1cc(-c2nc(-c3[n-]nc4c3CCCC4)cc3cnccc23)[n-]n1.CC(C)(C)c1ccncc1.[Pt+2]
• InChI: InChI=1S/C22H22N6.C9H13N.Pt/c1-22(2,3)19-11-18(26-27-19)20-14-8-9-23-12-13(14)10-17(24-20)21-15-6-4-5-7-16(15)25-28-21;1-9(2,3)8-4-6-10-7-5-8;/h8-12H,4-7H2,1-3H3;4-7H,1-3H3;/q-2;;+2
• InChIKey: JEKUFSJKQDDZGC-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 92.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.75
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,6-naphthyridine;4-tert-butylpyridine;platinum(2+)?

The IUPAC name of 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,6-naphthyridine;4-tert-butylpyridine;platinum(2+) (CID 156661553) is 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,6-naphthyridine;4-tert-butylpyridine;platinum(2+).

What is the SMILES notation for 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,6-naphthyridine;4-tert-butylpyridine;platinum(2+)?

The canonical SMILES for 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,6-naphthyridine;4-tert-butylpyridine;platinum(2+) is CC(C)(C)c1cc(-c2nc(-c3[n-]nc4c3CCCC4)cc3cnccc23)[n-]n1.CC(C)(C)c1ccncc1.[Pt+2].

What is the InChIKey of 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,6-naphthyridine;4-tert-butylpyridine;platinum(2+)?

The InChIKey is JEKUFSJKQDDZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6.C9H13N.Pt/c1-22(2,3)19-11-18(26-27-19)20-14-8-9-23-12-13(14)10-17(24-20)21-15-6-4-5-7-16(15)25-28-21;1-9(2,3)8-4-6-10-7-5-8;/h8-12H,4-7H2,1-3H3;4-7H,1-3H3;/q-2;;+2.

What are the key properties of 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,6-naphthyridine;4-tert-butylpyridine;platinum(2+)?

1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,6-naphthyridine;4-tert-butylpyridine;platinum(2+) has a molecular weight of 700.75 g/mol, XLogP of 6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-tert-butylpyrazol-1-id-5-yl)-3-(4,5,6,7-tetrahydroindazol-2-id-3-yl)-2,6-naphthyridine;4-tert-butylpyridine;platinum(2+) is sourced from PubChem (CID 156661553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).